============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 10 0.900 -31.426 26.391 75.171 -99.200 -91.000 PHE 12 1.000 -28.229 29.496 79.694 -99.200 -91.000 PHE 16 1.000 -20.764 32.539 88.426 -99.200 -91.000 TYR 59 0.840 -4.344 20.789 85.550 -99.200 -91.000 PHE 62 1.000 2.993 24.607 88.586 -99.200 -91.000 PHE 77 1.000 -20.828 13.755 67.140 -99.200 -91.000 PHE 79 1.000 -20.026 9.571 77.025 -99.200 -91.000 TYR 80 0.840 -17.790 13.493 75.091 -99.200 -91.000 TYR 83 0.840 -24.602 13.887 79.417 -99.200 -91.000 HIS 88 0.900 -27.910 17.733 80.534 -99.200 -91.000 TYR 90 0.840 -31.063 18.431 77.010 -99.200 -91.000 PHE 96 1.000 -23.888 26.445 76.189 -99.200 -91.000 TYR 142 0.840 -3.519 32.312 67.850 -99.200 -91.000 PHE 144 1.000 -7.157 36.478 61.890 -99.200 -91.000 TYR 150 0.840 -11.432 24.228 60.543 -99.200 -91.000 TYR 158 0.840 -25.299 22.691 64.423 -99.200 -91.000 PHE 162 1.000 -21.677 27.689 64.136 -99.200 -91.000 TYR 169 0.840 -7.552 36.282 67.790 -99.200 -91.000 PHE 170 1.000 -2.013 37.177 73.456 -99.200 -91.000 HIS 174 0.900 -2.982 39.323 64.941 -99.200 -91.000 PHE 175 1.000 -8.101 42.181 70.808 -99.200 -91.000 PHE 185 1.000 -18.692 32.681 58.314 -99.200 -91.000 PHE 190 1.000 -22.117 29.855 72.178 -99.200 -91.000 PHE 218 1.000 7.928 25.317 74.422 -99.200 -91.000 TYR 225 0.840 0.914 31.866 85.552 -99.200 -91.000 PHE 237 1.000 -13.029 38.530 69.341 -99.200 -91.000 TYR 238 0.840 -20.666 44.020 75.364 -99.200 -91.000 PHE 247 1.000 -22.061 31.961 76.129 -99.200 -91.000 TYR 253 0.840 -7.961 31.157 90.127 -99.200 -91.000 PHE 259 1.000 -18.883 44.117 89.264 -99.200 -91.000 HIS 261 0.900 -13.926 36.915 82.288 -99.200 -91.000 PHE 283 1.000 -19.536 25.720 88.590 -99.200 -91.000 TYR 299 0.840 -24.398 47.629 89.158 -99.200 -91.000 PHE 305 1.000 -23.070 43.413 86.939 -99.200 -91.000